48639

Source:http://linkedlifedata.com/resource/chembl/compound/48639

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C17H19N/c1-2-18-12-15-10-6-7-11-16(15)17(13-18)14-8-4-3-5-9-14/h3-11,17H,2,12-13H2,1H3
chemicalCompound:standardIn...	QKUVNSGJPHVOHY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN1CC(c2ccccc2)c3ccccc3C1
chemicalCompound:molecularF...	C17 H19 N
chemicalCompound:moleculeId	48639
chemicalCompound:mwFreebase	237.339
chemicalCompound:alogp	3.678
chemicalCompound:hba	1
chemicalCompound:hbd	0
chemicalCompound:psa	3.24
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.954
chemicalCompound:acdLogD	1.899
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	237.339
chemicalCompound:acdMostBpk...	8.419
chemicalCompound:chemblId	CHEMBL286455
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:148639
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:742286, activity:742287, activity:742288, activity:742289, activity:742290, activity:742291